1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride

C16H28ClNO — CID 2870289

IUPAC1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride
SMILESCCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H27NO.ClH/c1-3-4-17-11(2)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16;/h11-14,17H,3-10H2,1-2H3;1H
InChIKeyZSUITYCGBJIVEF-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.58
Rot. Bonds5

About 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride

1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride (PubChem CID 2870289) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride
PubChem CID2870289
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride
SMILESCCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl
InChIInChI=1S/C16H27NO.ClH/c1-3-4-17-11(2)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16;/h11-14,17H,3-10H2,1-2H3;1H
InChIKeyZSUITYCGBJIVEF-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride?
The IUPAC name of 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride (CID 2870289) is 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride?
The canonical SMILES for 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride is CCCNC(C)C(=O)C12CC3CC(CC(C3)C1)C2.Cl.
What is the InChIKey of 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride?
The InChIKey is ZSUITYCGBJIVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c1-3-4-17-11(2)15(18)16-8-12-5-13(9-16)7-14(6-12)10-16;/h11-14,17H,3-10H2,1-2H3;1H.
What are the key properties of 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride?
1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(propylamino)propan-1-one;hydrochloride is sourced from PubChem (CID 2870289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).